Glycoside
GD023684
Name:
NoneFormula:
C34H35O15N3Smiles:
COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3O)c([N+](=O)[O-])c1)C(O)[C@@H]1CCCN1C2=OAglycone:
COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(O)C1CCCN1C2=OSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.38 |
| AlogP: | 1.53 | Num_rotatable_bonds: | 10 |
| MolWt: | 725.66 | Num_heavy_atoms: | 52 |
| TPSA: | 248.13 | NumAromaticRings: | 3 |
Unique Aglycone
AD15908
Formula: C28H27O9N3
Smiles:
COc1cc2c(cc1OCc1ccccc1)N(C(=O)OCc1ccc(O)c([N+](=O)[O-])c1)C(O)C1CCCN1C2=O| HBA: | 12 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.29 |
| AlogP: | 3.97 | Num_rotatable_bonds: | 7 |
| MolWt: | 549.54 | Num_heavy_atoms: | 40 |
| TPSA: | 151.91 | NumAromaticRings: | 3 |
